BDBM50089616 4a,12a-Dihydroxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxy-phenyl)-4a,6,6a,12,12a,12b-hexahydro-4H,5H-7,10-dioxa-benzo[a]anthracene-1,11-dione::CHEMBL24686::territrem B

SMILES C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O

InChI Key InChIKey=PBXNNDFKPQPJBB-UHFFFAOYSA-N

Data  2 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50089616   

TargetSterol O-acyltransferase 1(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50089616(CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibitory activity against acyl-CoA:cholesterol acyltransferase (ACAT)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50089616(CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...)
Affinity DataIC50: 8nMAssay Description:Inhibitory activity against AcetylcholinesteraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50089616(CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...)
Affinity DataIC50: 7.60nMAssay Description:Inhibition of human AChEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Electric eel)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50089616(CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...)
Affinity DataIC50: 260nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2010
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50089616(CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...)
Affinity DataIC50: 6nMAssay Description:Inhibition of AChE-induced amyloid beta aggregationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50089616(CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...)
Affinity DataKi:  1.70nM ΔG°:  -12.0kcal/molepH: 7.0 T: 2°CAssay Description:Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/6/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50089616(CHEMBL24686 | territrem B | 4a,12a-Dihydroxy-4,4,6...)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human acetylcholinesteraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)